1,5,9-triazabicyclo[9.1.1]tridecane

C10H21N3 — CID 18323620

IUPAC1,5,9-triazabicyclo[9.1.1]tridecane
SMILESC1CNCCCN2CC(CNC1)C2
InChIInChI=1S/C10H21N3/c1-3-11-5-2-6-13-8-10(9-13)7-12-4-1/h10-12H,1-9H2
InChIKeyNGMXDXGOZMCSCL-UHFFFAOYSA-N
MW183.30 g/mol
LogP-0.11
Rot. Bonds

About 1,5,9-triazabicyclo[9.1.1]tridecane

1,5,9-triazabicyclo[9.1.1]tridecane (PubChem CID 18323620) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1,5,9-triazabicyclo[9.1.1]tridecane.

Molecular Properties

Compound Name1,5,9-triazabicyclo[9.1.1]tridecane
PubChem CID18323620
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1,5,9-triazabicyclo[9.1.1]tridecane
SMILESC1CNCCCN2CC(CNC1)C2
InChIInChI=1S/C10H21N3/c1-3-11-5-2-6-13-8-10(9-13)7-12-4-1/h10-12H,1-9H2
InChIKeyNGMXDXGOZMCSCL-UHFFFAOYSA-N
XLogP-0.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,9-triazabicyclo[9.1.1]tridecane?
The IUPAC name of 1,5,9-triazabicyclo[9.1.1]tridecane (CID 18323620) is 1,5,9-triazabicyclo[9.1.1]tridecane.
What is the SMILES notation for 1,5,9-triazabicyclo[9.1.1]tridecane?
The canonical SMILES for 1,5,9-triazabicyclo[9.1.1]tridecane is C1CNCCCN2CC(CNC1)C2.
What is the InChIKey of 1,5,9-triazabicyclo[9.1.1]tridecane?
The InChIKey is NGMXDXGOZMCSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-11-5-2-6-13-8-10(9-13)7-12-4-1/h10-12H,1-9H2.
What are the key properties of 1,5,9-triazabicyclo[9.1.1]tridecane?
1,5,9-triazabicyclo[9.1.1]tridecane has a molecular weight of 183.30 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9-triazabicyclo[9.1.1]tridecane is sourced from PubChem (CID 18323620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).